LMucko/crystallography-open-database · Datasets at Hugging Face

4,322,299

10.853

0.002

10.976

0.001

21.641

0.003

103.58

0.01

95.55

0.01

101.42

0.01

2,428.3

0.6

293

2

293

2

null

6

P -1

-P 1

2

- C54 H45 Nb O P2 S5 -

- C108 H90 Nb2 O2 P4 S10 -

2

1

Jung Woo Park; Sang Man Koo

Monomeric Niobium Persulfide Complexes: The Synthesis and Structural Characterization of Pentagonal-Pyramidal [Ph4P]2[Nb(E)(S2)2(SPh)] (E = O, S) Complexes

Inorganic Chemistry

1,999

38

4898

4900

10.1021/ic981328k

0.71069

MoKα

0.0494

0.0417

null

0.1001

0.0964

null

1.126

1.175

null

has coordinates

Jung Woo Park; Sang Man Koo Monomeric Niobium Persulfide Complexes: The Synthesis and Structural Characterization of Pentagonal-Pyramidal [Ph4P]2[Nb(E)(S2)2(SPh)] (E = O, S) Complexes Inorganic Chemistry 38 (1999) 4898-4900

179,325

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:23:19 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179325 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322299.cif $ #-------------------------------------------------------------------...

2,004,295

15.515

0.001

15.515

0.001

8.851

0.001

90

null

90

null

90

null

2,130.6

0.3

298

null

3

I -4

82

- C13 H18 O -

- C104 H144 O8 -

8

1

NA1181

Bohnen, F. M.; Maier, W. F.; Krüger, C.

Tricyclo[8.2.1.0^2,9^]trideca-5,11-dien-3-ol

Acta Crystallographica Section C

1,995

51

12

2639

2641

10.1107/S0108270195009590

0.71069

MoKα

null

0.034

null

0.102

null

0.82

null

has coordinates

Bohnen, F. M.; Maier, W. F.; Krüger, C. Tricyclo[8.2.1.0^2,9^]trideca-5,11-dien-3-ol Acta Crystallographica Section C 51(12) (1995) 2639-2641

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/42/2004295.cif $ #-------------------------------------------------------------------...

2,004,296

9.597

0.004

11.288

0.004

11.984

0.004

92.28

0.03

109.58

0.03

99.1

0.03

1,201.7

0.8

293

null

5

P -1

-P 1

2

- C50 H54 Cu2 N2 O14 -

1

0.5

NA1186

Turpeinen, U.; Hämäläinen, R.; Mutikainen, I.

Bis[(2-hydroxyethyl)dimethylammonium] Tetrakis(μ-benzoato-O:O')bis[(benzoato-O)cuprate(II)]

Acta Crystallographica Section C

1,995

51

12

2544

2546

10.1107/S0108270195007682

0.71069

MoKα

null

0.048

null

0.0552

null

1.18

null

has coordinates

Turpeinen, U.; Hämäläinen, R.; Mutikainen, I. Bis[(2-hydroxyethyl)dimethylammonium] Tetrakis(μ-benzoato-O:O')bis[(benzoato-O)cuprate(II)] Acta Crystallographica Section C 51(12) (1995) 2544-2546

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/42/2004296.cif $ #-------------------------------------------------------------------...

2,004,297

30.403

0.001

8.13

0.001

10.354

0.002

90

null

101.889

0.001

90

null

2,504.4

0.6

295

null

4

C 1 2/c 1

-C 2yc

15

- C14 H11 Cl2 N -

- C112 H88 Cl16 N8 -

8

1

NA1187

Ülkü, D.; Tahir, M. N.; Menzek, A.; Balcı, M.

Unusual Chlorination During an Epoxidation Reaction of an Ethenocyclopropa[b]naphthalene Derivative

Acta Crystallographica Section C

1,995

51

12

2714

2715

10.1107/S0108270195009383

0.71073

MoKα

null

0.056

null

0.05

null

1.35

null

has coordinates

Ülkü, D.; Tahir, M. N.; Menzek, A.; Balcı, M. Unusual Chlorination During an Epoxidation Reaction of an Ethenocyclopropa[b]naphthalene Derivative Acta Crystallographica Section C 51(12) (1995) 2714-2715

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/42/2004297.cif $ #-------------------------------------------------------------------...

2,004,298

7.213

0.002

9.102

0.003

10.08

0.004

80.49

0.03

86.85

0.03

74.32

0.02

628.4

0.4

150

0.2

150

0.2

null

4

P -1

-P 1

2

[15]aneS2O3

1,4,7-trioxa-10,13-dithiacyclopentdecane

- C10 H20 O3 S2 -

- C20 H40 O6 S4 -

2

1

NA1189

Blake, A. J.; Radek, C.; Schröder, M.

Redetermination of the Structures of 1,4,7-Trioxa-10,13-dithiacyclopentadecane and 1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane

Acta Crystallographica Section C

1,995

51

12

2668

2671

10.1107/S0108270195008079

0.71073

MoKα

0.0284

0.0248

null

0.0666

0.0622

null

1.037

1.032

null

has coordinates

Blake, A. J.; Radek, C.; Schröder, M. Redetermination of the Structures of 1,4,7-Trioxa-10,13-dithiacyclopentadecane and 1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane Acta Crystallographica Section C 51(12) (1995) 2668-2671

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/42/2004298.cif $ #-------------------------------------------------------------------...

2,004,299

15.9074

0.0012

9.5181

0.0008

12.5255

0.001

90

null

124.351

0.004

90

null

1,565.7

0.2

295

2

295

2

null

4

C 1 2/c 1

-C 2yc

15

[18]aneS2O4

1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane

- C12 H24 O4 S2 -

- C48 H96 O16 S8 -

4

0.5

NA1189

Blake, A. J.; Radek, C.; Schröder, M.

Redetermination of the Structures of 1,4,7-Trioxa-10,13-dithiacyclopentadecane and 1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane

Acta Crystallographica Section C

1,995

51

12

2668

2671

10.1107/S0108270195008079

0.71073

MoKα

0.0535

0.0386

null

0.1194

0.1058

null

1.03

1.06

null

has coordinates,has Fobs

Blake, A. J.; Radek, C.; Schröder, M. Redetermination of the Structures of 1,4,7-Trioxa-10,13-dithiacyclopentadecane and 1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane Acta Crystallographica Section C 51(12) (1995) 2668-2671

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/42/2004299.cif $ #-------------------------------------------------------------------...

2,004,300

4.848

0.003

11.79

0.007

12.159

0.005

72.06

0.02

84.77

0.03

84.19

0.04

656.5

0.6

295

2

295

2

null

3

P -1

-P 1

2

4-n-heptylbenzoic acid

- C14 H20 O2 -

- C28 H40 O4 -

2

1

NA1190

Blake, A. J.; Fallis, I. A.; Parsons, S.; Schröder, M.; Bruce, D. W.

4-n-Heptylbenzoic Acid

Acta Crystallographica Section C

1,995

51

12

2666

2668

10.1107/S0108270195007876

0.71073

MoKα

0.2441

0.0672

null

0.161

0.1057

null

0.961

1.245

null

has coordinates

Blake, A. J.; Fallis, I. A.; Parsons, S.; Schröder, M.; Bruce, D. W. 4-n-Heptylbenzoic Acid Acta Crystallographica Section C 51(12) (1995) 2666-2668

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004300.cif $ #-------------------------------------------------------------------...

2,004,301

9.292

0.002

10.139

0.002

10.095

0.002

90

null

91.59

0.03

90

null

950.7

0.3

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

Trans-1-cyano-2-phenylcyclopropanecarboxamide

- C11 H10 N2 O -

- C44 H40 N8 O4 -

4

1

NA1194

Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; López, M. P.

trans-1-Cyano-2-phenylcyclopropanecarboxamide

Acta Crystallographica Section C

1,995

51

12

2703

2705

10.1107/S010827019500936X

0.71073

MoKα

0.0713

0.0435

null

0.1171

0.1005

null

1.071

1.109

null

has coordinates

Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; López, M. P. trans-1-Cyano-2-phenylcyclopropanecarboxamide Acta Crystallographica Section C 51(12) (1995) 2703-2705

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004301.cif $ #-------------------------------------------------------------------...

2,004,302

9.816

0.001

12.422

0.001

15.234

0.001

90

null

90

null

90

null

1,857.5

0.3

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

mutilin

[3aS-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-6-ethenyloctahydro-5,8- dihydroxy- 4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one

- C20 H32 O3 -

- C80 H128 O12 -

4

1

NA1195

Pilati, T.; Cravotto, G.; Palmisano, G.

Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin

Acta Crystallographica Section C

1,995

51

12

2676

2680

10.1107/S0108270195008602

0.71073

MoKα

0.0714

0.0463

null

0.1166

0.1043

null

1.032

1.088

null

has coordinates

Pilati, T.; Cravotto, G.; Palmisano, G. Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin Acta Crystallographica Section C 51(12) (1995) 2676-2680

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004302.cif $ #-------------------------------------------------------------------...

4,322,298

13.869

0.003

23.128

0.005

12.056

0.002

104.84

0.03

106.91

0.03

95.29

0.03

3,517.9

1.6

193

2

193

2

null

7

P -1

-P 1

2

- C84 H68 Cr N3 O5 P4 S -

- C83.82 H64 Cr N3 O4.72 P4 S -

- C167.64 H128 Cr2 N6 O9.44 P8 S2 -

2

1

Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies

Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands

Inorganic Chemistry

1,999

38

4705

4714

10.1021/ic9804216

0.71073

MoKα

0.2001

0.0815

null

0.2404

0.1878

null

1.003

1.159

null

has coordinates

Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands Inorganic Chemistry 38 (1999) 4705-4714

179,325

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:23:19 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179325 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322298.cif $ #-------------------------------------------------------------------...

2,004,303

7.063

0.001

15.863

0.002

18.027

0.003

90

null

90

null

90

null

2,019.8

0.5

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

5-acetylmutilin

[3aS-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-5-acetate-6-ethenyloctahydro-5,8- dihydroxy-4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one

- C22 H34 O4 -

- C88 H136 O16 -

4

1

NA1195

Pilati, T.; Cravotto, G.; Palmisano, G.

Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin

Acta Crystallographica Section C

1,995

51

12

2676

2680

10.1107/S0108270195008602

0.71073

MoKα

0.0696

0.0448

null

0.0994

0.0887

null

1.067

1.109

null

has coordinates

Pilati, T.; Cravotto, G.; Palmisano, G. Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin Acta Crystallographica Section C 51(12) (1995) 2676-2680

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004303.cif $ #-------------------------------------------------------------------...

2,004,304

9.32

0.001

11.251

0.001

10.671

0.001

90

null

109.266

0.008

90

null

1,056.29

0.18

293

2

293

2

null

4

P 1 21 1

P 2yb

4

5-bromoacetilmutilin

S-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-5-bromoacetate-6-ethenyloctahydro-5,8- dihydroxy-4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one

- C22 H33 Br O4 -

- C44 H66 Br2 O8 -

2

1

NA1195

Pilati, T.; Cravotto, G.; Palmisano, G.

Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin

Acta Crystallographica Section C

1,995

51

12

2676

2680

10.1107/S0108270195008602

0.71073

MoKα

null

0.0444

null

0.0912

0.0776

null

1.074

null

has coordinates

Pilati, T.; Cravotto, G.; Palmisano, G. Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin Acta Crystallographica Section C 51(12) (1995) 2676-2680

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004304.cif $ #-------------------------------------------------------------------...

2,004,305

16.208

0.002

16.208

0.002

5.8

0.002

90

null

90

null

90

null

1,523.7

0.6

292

null

292

null

7

P -4 21 m

P -4 2ab

113

PB(REO4)2.THIOUREA

- C2 H12 N4 O26 Pb3 Re6 S2 -

- C4 H24 N8 O52 Pb6 Re12 S4 -

2

0.25

NS1002

Macícek, J.; Angelova, O.

Molecular Adducts of Inorganic Salts. III. Non-Centrosymmetric 3Pb(ReO~4~)~2~.2tu.2H~2~O (tu = Thiourea)

Acta Crystallographica Section C

1,995

51

12

2539

2542

10.1107/S0108270195004653

0.71073

MoKα

0.073

0.041

null

0.132

0.049

null

1.946

0.736

null

has coordinates

Macícek, J.; Angelova, O. Molecular Adducts of Inorganic Salts. III. Non-Centrosymmetric 3Pb(ReO~4~)~2~.2tu.2H~2~O (tu = Thiourea) Acta Crystallographica Section C 51(12) (1995) 2539-2542

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004305.cif $ #-------------------------------------------------------------------...

2,004,306

9.5573

0.0005

8.7019

0.0002

5.2705

0.0003

90

null

107.637

0.002

90

null

417.73

0.04

296

null

4

C 1 2/c 1

-C 2yc

15

- Ga Na O6 Si2 -

- Ga4 Na4 O24 Si8 -

4

0.5

Ohashi, Haruo; Osawa, Toshikazu; Sato, Akira

Low-Density Form of NaGaSi~2~O~6~

Acta Crystallographica, Section C: Crystal Structure Communications

1,995

51

12

2476

2477

10.1107/s010827019500775x

null

has coordinates

Ohashi, Haruo; Osawa, Toshikazu; Sato, Akira Low-Density Form of NaGaSi~2~O~6~ Acta Crystallographica, Section C: Crystal Structure Communications 51(12) (1995) 2476-2477

282,068

2023-03-26

10:12:03

#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004306.cif $ #-------------------------------------------------------------------...

2,004,307

7.711

0.002

12.728

0.003

13.728

0.003

90

null

90

null

90

null

1,347.3

0.6

293

null

3

P 21 21 21

P 2ac 2ab

19

- C15 H24 O -

- C60 H96 O4 -

4

1

PA1169

Benharref, A.; El Jamili, H.; Lassaba, E.; Giorgi, M.; Pierrot, M.

2β,3β-Epoxy-α-trans-himachalene and 2β,3β,11α,15α-Diepoxy-trans-himachalane Derivatives

Acta Crystallographica Section C

1,995

51

12

2658

2661

10.1107/S0108270195009024

0.71073

MoKα

null

0.05

null

0.073

null

2.25

null

has coordinates

Benharref, A.; El Jamili, H.; Lassaba, E.; Giorgi, M.; Pierrot, M. 2β,3β-Epoxy-α-trans-himachalene and 2β,3β,11α,15α-Diepoxy-trans-himachalane Derivatives Acta Crystallographica Section C 51(12) (1995) 2658-2661

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004307.cif $ #-------------------------------------------------------------------...

2,004,308

7.711

0.001

12.562

0.002

13.989

0.002

90

null

90

null

90

null

1,355.1

0.3

293

null

3

P 21 21 21

P 2ac 2ab

19

- C15 H24 O2 -

- C60 H96 O8 -

4

1

PA1169

Benharref, A.; El Jamili, H.; Lassaba, E.; Giorgi, M.; Pierrot, M.

2β,3β-Epoxy-α-trans-himachalene and 2β,3β,11α,15α-Diepoxy-trans-himachalane Derivatives

Acta Crystallographica Section C

1,995

51

12

2658

2661

10.1107/S0108270195009024

0.71073

MoKα

null

0.05

null

0.05

null

0.712

null

has coordinates

Benharref, A.; El Jamili, H.; Lassaba, E.; Giorgi, M.; Pierrot, M. 2β,3β-Epoxy-α-trans-himachalene and 2β,3β,11α,15α-Diepoxy-trans-himachalane Derivatives Acta Crystallographica Section C 51(12) (1995) 2658-2661

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004308.cif $ #-------------------------------------------------------------------...

2,004,309

11.933

0.002

7.322

0.001

15.551

0.005

90

null

92.01

0.03

90

null

1,357.9

0.5

293

null

4

P 1 21/c 1

-P 2ybc

14

- C16 H17 N O2 -

- C64 H68 N4 O8 -

4

1

PA1175

Tenon, J. A.; Carles, M.; Aycard, J.-P.

N-(5-Hydroxysalicylidène)-2,4,6-triméthylaniline

Acta Crystallographica Section C

1,995

51

12

2603

2606

10.1107/S0108270195007967

0.71073

MoKα

null

0.041

null

0.041

null

0.73

null

has coordinates

Tenon, J. A.; Carles, M.; Aycard, J.-P. N-(5-Hydroxysalicylidène)-2,4,6-triméthylaniline Acta Crystallographica Section C 51(12) (1995) 2603-2606

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004309.cif $ #-------------------------------------------------------------------...

2,004,310

12.582

0.002

12.582

0.002

3.937

0.002

90

null

90

null

90

null

623.3

0.3

293

null

5

P 4/m b m

-P 4 2ab

127

- F4 K3 Nb3 O11 Ti2 -

- F K3 O2 Of12 St5 -

- F2 K6 O4 Of24 St10 -

2

0.125

PA1178

Ladjeroud, Z.; Balegroune, F.; Guehria, A.; Benziada, L.; Triki, S.

K~3~Nb~3~Ti~2~O~11~F~4~

Acta Crystallographica Section C

1,995

51

12

2459

2461

10.1107/S0108270195007980

0.71073

MoKα

null

0.047

null

0.072

null

2.136

null

has coordinates

Ladjeroud, Z.; Balegroune, F.; Guehria, A.; Benziada, L.; Triki, S. K~3~Nb~3~Ti~2~O~11~F~4~ Acta Crystallographica Section C 51(12) (1995) 2459-2461

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004310.cif $ #-------------------------------------------------------------------...

2,004,311

8.79

0.002

8.79

0.002

24.831

0.005

90

null

90

null

120

null

1,661.5

0.6

295

null

6

P 31 2 1

P 31 2"

152

- C10 H18 Br4 N8 S2 Zn -

- C30 H54 Br12 N24 S6 Zn3 -

3

0.5

PA1185

Salas, J. M.; Romero, M. A.; Faure, R.

Bis(4,6-diamino-2-methylthiopyrimidinium) Tetrabromozincate(II)

Acta Crystallographica Section C

1,995

51

12

2532

2534

10.1107/S0108270195007992

0.7107

MoKα

null

0.075

null

0.088

null

4.7

null

has coordinates

Salas, J. M.; Romero, M. A.; Faure, R. Bis(4,6-diamino-2-methylthiopyrimidinium) Tetrabromozincate(II) Acta Crystallographica Section C 51(12) (1995) 2532-2534

199,682

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-08-09 16:39:09 +0300 (Wed, 09 Aug 2017) $ #$Revision: 199682 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004311.cif $ #-------------------------------------------------------------------...

2,004,312

5.175

0.001

11.172

0.002

14.057

0.002

82.46

0.01

81.7

0.02

77.03

0.02

779.6

0.2

292

null

6

P -1

-P 1

2

- C17 H12 Br F N2 O2 -

- C34 H24 Br2 F2 N4 O4 -

2

1

PT1003

De Simone, C. A.; Zukerman-Schpector, J.; Pereira, M. A.; Cuong, L.-D.; Pitta, I. R.; Galdino, S. L.; Cavalcanti De Amorim, E. L.

3-(4-Bromobenzyl)-5-(4-fluorobenzylidene)imidazolidine-2,4-dione

Acta Crystallographica Section C

1,995

51

12

2620

2621

10.1107/S0108270195006639

0.71073

MoKα

null

0.058

null

0.062

null

1.65

null

has coordinates

De Simone, C. A.; Zukerman-Schpector, J.; Pereira, M. A.; Cuong, L.-D.; Pitta, I. R.; Galdino, S. L.; Cavalcanti De Amorim, E. L. 3-(4-Bromobenzyl)-5-(4-fluorobenzylidene)imidazolidine-2,4-dione Acta Crystallographica Section C 51(12) (1995) 2620-2621

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004312.cif $ #-------------------------------------------------------------------...

2,004,313

9.625

0.002

5.805

0.001

12.665

0.003

90

null

109.63

0.05

90

null

666.5

0.3

293

null

4

P 1 21 1

P 2yb

4

- C18 H15 N O2 -

- C36 H30 N2 O4 -

2

1

PT1011

Seetharaman, J.; Rajan, S. S.

8,9-Dimethoxybenzo[b]carbazole

Acta Crystallographica Section C

1,995

51

12

2568

2570

10.1107/S0108270195006627

1.54184

CuKα

null

0.056

null

0.063

null

1.01

null

has coordinates

Seetharaman, J.; Rajan, S. S. 8,9-Dimethoxybenzo[b]carbazole Acta Crystallographica Section C 51(12) (1995) 2568-2570

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004313.cif $ #-------------------------------------------------------------------...

4,322,297

12.6497

0.001

14.8095

0.0013

21.053

0.002

77.182

0.007

78.334

0.007

66.579

0.007

3,500.1

0.6

193

2

193

2

null

7

P -1

-P 1

2

- C82 H64 N2 O4 P4 S2 W -

- C164 H128 N4 O8 P8 S4 W2 -

2

1

Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies

Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands

Inorganic Chemistry

1,999

38

4705

4714

10.1021/ic9804216

0.71073

MoKα

0.0459

0.0346

null

0.0903

0.0819

null

1.07

1.055

null

has coordinates

Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands Inorganic Chemistry 38 (1999) 4705-4714

179,325

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:23:19 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179325 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322297.cif $ #-------------------------------------------------------------------...

2,004,314

6.226

0.0016

14.3627

0.0015

14.551

0.002

90

null

92.783

0.017

90

null

1,299.6

0.4

123

null

123

null

5

P 1 21/c 1

-P 2ybc

14

2-[2-(3,4-dichlorophenyl)vinyl]benzothiazole

- C15 H9 Cl2 N S -

- C60 H36 Cl8 N4 S4 -

4

1

PT1025

Yang, J.; Kumar, P.; Dimmock, J. R.; Quail, J. W.

2-[2-(3,4-Dichlorophenyl)vinyl]benzo[d]thiazole

Acta Crystallographica Section C

1,995

51

12

2700

2702

10.1107/S0108270195008626

0.7093

MolybdenumKα

0.082

0.049

null

0.05

0.049

null

1.26

null

has coordinates

Yang, J.; Kumar, P.; Dimmock, J. R.; Quail, J. W. 2-[2-(3,4-Dichlorophenyl)vinyl]benzo[d]thiazole Acta Crystallographica Section C 51(12) (1995) 2700-2702

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004314.cif $ #-------------------------------------------------------------------...

2,004,315

10.55

0.001

9.071

0.002

15.146

0.002

90

null

103.37

0.01

90

null

1,410.2

0.4

213

null

213

null

6

P 1 21/a 1

-P 2yab

14

- C13 H15 Cl N2 O2 S -

- C52 H60 Cl4 N8 O8 S4 -

4

1

PT1026

Chai, C. L. L.; Hockless, D. C. R.

trans-3-(p-Chlorophenylthio)-1,4,6-trimethylpiperazine-2,5-dione

Acta Crystallographica Section C

1,995

51

12

2579

2581

10.1107/S0108270195007219

1.5418

CuKα

0.0397

0.036

null

0.0417

0.041

null

2.99

null

has coordinates

Chai, C. L. L.; Hockless, D. C. R. trans-3-(p-Chlorophenylthio)-1,4,6-trimethylpiperazine-2,5-dione Acta Crystallographica Section C 51(12) (1995) 2579-2581

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004315.cif $ #-------------------------------------------------------------------...

2,004,316

6.574

0.001

16.083

0.003

18.257

0.003

90

null

90

null

90

null

1,930.3

0.6

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

- C22 H29 N3 -

- C88 H116 N12 -

4

1

SX1000

Wolska, I.; Borowiak, T.

2-Cyano-2-phenylsparteine

Acta Crystallographica Section C

1,995

51

12

2716

2718

10.1107/S0108270195007931

1.54178

CuKα

0.0728

0.047

null

0.1229

null

1.056

1.1

null

has coordinates

Wolska, I.; Borowiak, T. 2-Cyano-2-phenylsparteine Acta Crystallographica Section C 51(12) (1995) 2716-2718

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004316.cif $ #-------------------------------------------------------------------...

2,004,317

9.253

0.002

12.558

0.002

15.862

0.008

90

null

90

null

90

null

1,843.2

1.1

298

1

298

1

null

4

P 21 21 21

P 2ac 2ab

19

2-Azido-N,N-diphenylcarbamoyl proline methyl ester

- C19 H19 N5 O3 -

- C76 H76 N20 O12 -

4

1

SZ1008

Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E.

Novel 2- and 5-Azido-N-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation

Acta Crystallographica Section C

1,995

51

12

2598

2601

10.1107/S0108270195010237

0.71073

MoKα

0.151

0.0737

null

0.0788

0.0632

null

1.508

null

has coordinates

Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E. Novel 2- and 5-Azido-N-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation Acta Crystallographica Section C 51(12) (1995) 2598-2601

208,466

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-17 18:45:41 +0300 (Sun, 17 Jun 2018) $ #$Revision: 208466 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004317.cif $ #-------------------------------------------------------------------...

2,004,318

8.379

0.003

13.183

0.008

16.294

0.007

90

null

90

null

90

null

1,799.8

1.5

173

1

173

1

null

4

P 21 21 21

P 2ac 2ab

19

cis-5-Azido-N,N-diphenylcarbamoyl proline methyl ester

- C19 H19 N5 O3 -

- C76 H76 N20 O12 -

4

1

SZ1008

Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E.

Novel 2- and 5-Azido-N-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation

Acta Crystallographica Section C

1,995

51

12

2598

2601

10.1107/S0108270195010237

0.71073

MoKα

0.0479

0.0385

null

0.0433

0.0411

null

1.285

null

has coordinates

Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E. Novel 2- and 5-Azido-N-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation Acta Crystallographica Section C 51(12) (1995) 2598-2601

208,466

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-17 18:45:41 +0300 (Sun, 17 Jun 2018) $ #$Revision: 208466 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004318.cif $ #-------------------------------------------------------------------...

2,004,319

10.458

0.002

16.969

0.003

9.739

0.002

90

null

104.93

0.03

90

null

1,670

0.6

298

null

298

null

3

P 1 21/c 1

-P 2ybc

14

8,16-Methano-16H-dinaphtho[2,1-d:1',2'-g][1,3]dioxocin-2,14-diol

- C23 H16 O4 -

- C92 H64 O16 -

4

1

SZ1012

Klei, H. E.; Callegari, E.; Edwards, J. M.; Kelly, J. A.

8,16-Methano-16H-dinaphtho[2,1-d:1',2'-g][1,3]dioxocine-2,14-diol

Acta Crystallographica Section C

1,995

51

12

2621

2624

10.1107/S0108270195003520

1.5418

CuKα

0.0751

0.0561

null

0.0796

0.073

null

1.25

null

has coordinates

Klei, H. E.; Callegari, E.; Edwards, J. M.; Kelly, J. A. 8,16-Methano-16H-dinaphtho[2,1-d:1',2'-g][1,3]dioxocine-2,14-diol Acta Crystallographica Section C 51(12) (1995) 2621-2624

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004319.cif $ #-------------------------------------------------------------------...

2,004,320

12.391

0.005

17.316

0.004

21.908

0.007

90

null

95.92

0.02

90

null

4,676

3

300

null

6

P 1 21/c 1

-P 2ybc

14

- C23 H23 N O2 S2 Sn -

- C24.5 H23 N1.5 O2 S3 Sn -

- C196 H184 N12 O16 S24 Sn8 -

8

2

TA1019

Ng, S. W.; Kumar Das, V. G.

(N,N-Dimethylthiocarbamoylthioacetato)triphenyltin

Acta Crystallographica Section C

1,995

51

12

2489

2491

10.1107/S0108270194014575

0.71073

MoKα

null

0.05

null

0.055

null

0.446

null

has coordinates

Ng, S. W.; Kumar Das, V. G. (N,N-Dimethylthiocarbamoylthioacetato)triphenyltin Acta Crystallographica Section C 51(12) (1995) 2489-2491

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004320.cif $ #-------------------------------------------------------------------...

2,004,321

5.487

0.003

10.51

0.004

17.796

0.009

100.61

0.04

96.03

0.04

97.23

0.04

992

0.9

293

null

4

P -1

-P 1

2

- C17 H12 Br2 S5 -

- C34 H24 Br4 S10 -

2

1

TA1027

Yu, W.-T.; Qi, F.; Hong, L.

4,5-Bis(4-bromobenzylthio)-1,3-dithiole-2-thione

Acta Crystallographica Section C

1,995

51

12

2606

2608

10.1107/S0108270195007906

0.71073

MoKα

null

0.076

null

0.074

null

1.358

null

has coordinates

Yu, W.-T.; Qi, F.; Hong, L. 4,5-Bis(4-bromobenzylthio)-1,3-dithiole-2-thione Acta Crystallographica Section C 51(12) (1995) 2606-2608

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004321.cif $ #-------------------------------------------------------------------...

2,004,322

11.119

0.001

6.368

0.001

5.582

0.001

101.6

0.01

90.43

0.01

102.4

0.01

377.6

0.1

292

1

293

2

null

5

P -1

-P 1

2

Tetrahydro-6-methyl-1H-thieno[3,4-b]pyrrol-2(3H)-one

- C7 H11 N O S -

- C14 H22 N2 O2 S2 -

2

1

TA1030

Mackay, M. F.; Henderson, S. A.; Savage, G. P.

Tetrahydro-6-methyl-1H,3H-thieno[3,4-b]pyrrol-2-one, an Analogue of Biotin

Acta Crystallographica Section C

1,995

51

12

2673

2674

10.1107/S0108270195008912

1.5418

CuKα

null

0.047

null

0.066

null

3.01

null

has coordinates

Mackay, M. F.; Henderson, S. A.; Savage, G. P. Tetrahydro-6-methyl-1H,3H-thieno[3,4-b]pyrrol-2-one, an Analogue of Biotin Acta Crystallographica Section C 51(12) (1995) 2673-2674

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004322.cif $ #-------------------------------------------------------------------...

2,004,323

19.362

0.016

5.128

0.006

8.159

0.006

90

null

100.11

0.06

90

null

797.5

1.3

193

null

4

P 1 21/c 1

-P 2ybc

14

- C8 H9 B O2 -

- C32 H36 B4 O8 -

4

1

TA1036

Gainsford, G. J.; Meinhold, R. H.; Woolhouse, A. D.

Styrylboronic Acid

Acta Crystallographica Section C

1,995

51

12

2694

2696

10.1107/S010827019500919X

0.71073

MoKα

null

0.055

null

0.055

null

1.36

null

has coordinates

Gainsford, G. J.; Meinhold, R. H.; Woolhouse, A. D. Styrylboronic Acid Acta Crystallographica Section C 51(12) (1995) 2694-2696

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004323.cif $ #-------------------------------------------------------------------...

2,004,324

8.281

0.002

12.084

0.003

14.491

0.005

90

null

90

null

90

null

1,450.1

0.7

130

2

130

2

null

4

P 21 21 21

P 2ac 2ab

19

methyl (S)-2-benzoyloxy-4-bromo-4-methylpentanoate

- C14 H17 Br O4 -

- C56 H68 Br4 O16 -

4

1

TA1037

Shaw, J. P.; Tan, E. W.; Blackman, A. G.

Homochiral Methyl (S)-2-Benzoyloxy-4-bromo-4-methylpentanoate

Acta Crystallographica Section C

1,995

51

12

2583

2584

10.1107/S0108270195008444

0.71073

MoKα

0.0569

0.0418

null

0.093

0.0874

null

1.054

1.076

null

has coordinates

Shaw, J. P.; Tan, E. W.; Blackman, A. G. Homochiral Methyl (S)-2-Benzoyloxy-4-bromo-4-methylpentanoate Acta Crystallographica Section C 51(12) (1995) 2583-2584

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004324.cif $ #-------------------------------------------------------------------...

2,004,325

10.001

0.001

20.603

0.002

8.601

0.001

90

null

90

null

90

null

1,772.2

0.3

298

null

4

P 21 21 21

P 2ac 2ab

19

- C22 H23 N O2 -

- C88 H92 N4 O8 -

4

1

VJ1020

Thiruvalluvar, A.; Sankar Raja Raj, K.; Krishna Pillay, M.; Venkatasubramanian, K.

N-Benzoyl-2-phenyldecahydroquinolin-4-one, C~22~H~23~NO~2~

Acta Crystallographica Section C

1,995

51

12

2641

2643

10.1107/S0108270195003702

1.5418

CuKα

null

0.037

null

0.038

null

1.18

null

has coordinates

Thiruvalluvar, A.; Sankar Raja Raj, K.; Krishna Pillay, M.; Venkatasubramanian, K. N-Benzoyl-2-phenyldecahydroquinolin-4-one, C~22~H~23~NO~2~ Acta Crystallographica Section C 51(12) (1995) 2641-2643

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004325.cif $ #-------------------------------------------------------------------...

2,004,326

15.185

0.002

9.81

0.001

12.823

0.002

90

null

100.89

0.02

90

null

1,875.8

0.4

293

null

5

P 1 21/c 1

-P 2ybc

14

- C18 H24 Cl N3 O3 -

- C72 H96 Cl4 N12 O12 -

4

1

VJ1025

Chandra Mohan, K.; Ravikumar, K.

Ondansetron Hydrochloride: a Competitive Serotonin 5-HT~3~ Receptor Blocker

Acta Crystallographica Section C

1,995

51

12

2627

2629

10.1107/S0108270195008043

0.71073

MoKα

null

0.051

null

0.062

null

1.2

null

has coordinates

Chandra Mohan, K.; Ravikumar, K. Ondansetron Hydrochloride: a Competitive Serotonin 5-HT~3~ Receptor Blocker Acta Crystallographica Section C 51(12) (1995) 2627-2629

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004326.cif $ #-------------------------------------------------------------------...

4,322,296

11.054

0.002

28.14

0.006

12.566

0.002

90

null

90.583

0.01

90

null

3,908.6

1.3

293

2

293

2

null

7

P 1 21 1

P 2yb

4

- C89 H76 N7 O3 P4 S W -

- C89 H77 N7 O3 P4 S W -

- C178 H154 N14 O6 P8 S2 W2 -

2

1

Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies

Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands

Inorganic Chemistry

1,999

38

4705

4714

10.1021/ic9804216

0.71073

MoKα

0.0471

0.0362

null

0.0975

0.0854

null

1.051

1.031

null

has coordinates

Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands Inorganic Chemistry 38 (1999) 4705-4714

255,805

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2020-09-02 19:55:10 +0300 (Wed, 02 Sep 2020) $ #$Revision: 255805 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322296.cif $ #-------------------------------------------------------------------...

2,004,327

7.341

0.001

14.518

0.003

8.01

0.002

90

null

94.01

0.03

90

null

851.6

0.3

293

null

4

C 1 2/c 1

-C 2yc

15

- C6 H12 N2 S2 -

- C24 H48 N8 S8 -

4

0.5

VS1009

Shishkin, O. V.; Kolos, N. N.; Orlov, V. D.; Kuznetsov, V. P.; Lakin, E. E.

o-Phenylenediammonium Bis(hydrogensulfide)

Acta Crystallographica Section C

1,995

51

12

2643

2644

10.1107/S0108270195006846

0.71073

MoKα

null

0.037

null

0.043

null

1.73

null

has coordinates

Shishkin, O. V.; Kolos, N. N.; Orlov, V. D.; Kuznetsov, V. P.; Lakin, E. E. o-Phenylenediammonium Bis(hydrogensulfide) Acta Crystallographica Section C 51(12) (1995) 2643-2644

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004327.cif $ #-------------------------------------------------------------------...

2,004,328

5.558

0.002

8.776

0.003

25.153

0.007

90

null

95.46

0.02

90

null

1,221.3

0.7

293

null

4

P 1 21 1

P 2yb

4

- C25 H28 N4 O6 -

- C50 H56 N8 O12 -

2

1

VS1017

Mishnev, A. F.; Kemme, A. A.; Ancans, J. J.

N^{α^}-tert-Butoxycarbonyl-N^{τ^}-benzylhistidine p-Nitrobenzyl Ester

Acta Crystallographica Section C

1,995

51

12

2601

2603

10.1107/S0108270195006834

0.71073

MoKα

null

0.049

null

0.049

null

0.988

null

has coordinates

Mishnev, A. F.; Kemme, A. A.; Ancans, J. J. N^{α^}-tert-Butoxycarbonyl-N^{τ^}-benzylhistidine p-Nitrobenzyl Ester Acta Crystallographica Section C 51(12) (1995) 2601-2603

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004328.cif $ #-------------------------------------------------------------------...

2,004,329

5.311

0.001

9.495

0.001

11.442

0.002

94.13

0.02

93.79

0.02

93.6

0.02

572.92

0.16

298

null

4

P -1

-P 1

2

- C13 H10 N2 O3 -

- C26 H20 N4 O6 -

2

1

AB1126

Pomés Hernández, R.; Duque Rodríguez, J.; Novoa de Armas, H.; Toscano, R. A.

2-Cyano-N-furfuryl-3-(2-furyl)acrylamide

Acta Crystallographica Section C

1,996

52

1

203

205

10.1107/S0108270195008560

0.71069

MoKα

null

0.041

null

0.039

null

1.17

null

has coordinates

Pomés Hernández, R.; Duque Rodríguez, J.; Novoa de Armas, H.; Toscano, R. A. 2-Cyano-N-furfuryl-3-(2-furyl)acrylamide Acta Crystallographica Section C 52(1) (1996) 203-205

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004329.cif $ #-------------------------------------------------------------------...

2,004,330

12.981

0.005

14.021

0.004

12.356

0.006

109.81

0.04

117.51

0.03

90.36

0.04

1,840.5

1.6

296

null

7

P -1

-P 1

2

- C48 H80 Cr Fe Mo6 Na2 O40 -

- C48 Co2 Mo6 Na2 O40 -

1

0.5

AB1128

Liu, H.; Xu, L.; Huang, J.; Chen, W.; Zhang, Q.

A Novel Octanuclear Mixed-Metal Cluster: Na~2~[Cr~0.5~Fe~0.5~Mo~3~O~4~(O~2~CEt)~8~]~2~

Acta Crystallographica Section C

1,996

52

1

69

72

10.1107/S0108270195002927

0.71076

MoKα

null

0.056

null

0.064

null

1.09

null

has coordinates

Liu, H.; Xu, L.; Huang, J.; Chen, W.; Zhang, Q. A Novel Octanuclear Mixed-Metal Cluster: Na~2~[Cr~0.5~Fe~0.5~Mo~3~O~4~(O~2~CEt)~8~]~2~ Acta Crystallographica Section C 52(1) (1996) 69-72

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004330.cif $ #-------------------------------------------------------------------...

2,004,331

8.653

0.002

20.225

0.004

14.724

0.003

90

null

90

null

90

null

2,576.8

0.9

293

2

null

5

P b c n

-P 2n 2ab

60

- C14 H9 Cl2 N O4 -

- C112 H72 Cl16 N8 O32 -

8

1

AB1148

Novoa de Armas, H.; Pomés Hernández, R.; Duque Rodríguez, J.; Toscano, R. A.

4,4'-Dichloro-2,2'-iminodibenzoic Acid

Acta Crystallographica Section C

1,996

52

1

166

168

10.1107/S0108270195008572

1.54178

CuKα

null

0.056

null

0.0747

null

1.68

null

has coordinates

Novoa de Armas, H.; Pomés Hernández, R.; Duque Rodríguez, J.; Toscano, R. A. 4,4'-Dichloro-2,2'-iminodibenzoic Acid Acta Crystallographica Section C 52(1) (1996) 166-168

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004331.cif $ #-------------------------------------------------------------------...

2,004,332

9.929

0.002

8.75

0.002

11.23

0.002

90

null

107.21

0.02

90

null

932

0.3

153

2

153

2

null

4

P 1 21 1

P 2yb

4

(4'S)-2-(Benzyl-oxazolidine-2'-one-3'carbonyl)-3-phenylacrylic acid methyl ester

- C21 H19 N O5 -

- C42 H38 N2 O10 -

2

1

AB1277

Pohl, E.; Schünke, C.; Tietze, L. F.

(2E,4'S)-2-(4'-Benzyl-2'-oxo-3'-oxazolidinylcarbonyl)-3-phenylacrylic Acid Methyl Ester

Acta Crystallographica Section C

1,996

52

1

246

248

10.1107/S0108270195010730

0.71073

MoKα

0.0298

0.0287

null

0.0704

0.0693

null

1.058

null

has coordinates

Pohl, E.; Schünke, C.; Tietze, L. F. (2E,4'S)-2-(4'-Benzyl-2'-oxo-3'-oxazolidinylcarbonyl)-3-phenylacrylic Acid Methyl Ester Acta Crystallographica Section C 52(1) (1996) 246-248

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004332.cif $ #-------------------------------------------------------------------...

2,004,333

12.799

0.005

12.969

0.009

7.885

0.004

90

null

99.01

0.04

90

null

1,292.7

1.2

293

null

5

C 1 2/m 1

-C 2y

12

- C8 H26 N6 O20 U2 -

- C12 H40 N8 O20 U2 -

- C24 H80 N16 O40 U4 -

2

0.25

AB1283

Hämäläinen, R.; Turpeinen, U.; Mutikainen, I.

Di-μ-aqua-bis[bis(nitrato-O,O')dioxouranium(VI)] Bis(2-dimethylaminoethanol)

Acta Crystallographica Section C

1,996

52

1

16

17

10.1107/S0108270195009255

0.71069

MoKα

null

0.057

null

0.062

null

2.04

null

has coordinates

Hämäläinen, R.; Turpeinen, U.; Mutikainen, I. Di-μ-aqua-bis[bis(nitrato-O,O')dioxouranium(VI)] Bis(2-dimethylaminoethanol) Acta Crystallographica Section C 52(1) (1996) 16-17

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004333.cif $ #-------------------------------------------------------------------...

2,004,334

12.848

0.004

6.356

0.003

12.391

0.004

90

null

113.48

0.05

90

null

928.1

0.7

293

null

4

P 1 21/c 1

-P 2ybc

14

- C7 H13 N S2 -

- C28 H52 N4 S8 -

4

1

AB1284

Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.

5-tert-Butylthiazolidine-2-thione and 5-Phenylthiazolidine-2-thione

Acta Crystallographica Section C

1,996

52

1

215

218

10.1107/S0108270195010699

0.71073

MoKα

null

0.05

null

0.0486

null

0.91

null

has coordinates

Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M. 5-tert-Butylthiazolidine-2-thione and 5-Phenylthiazolidine-2-thione Acta Crystallographica Section C 52(1) (1996) 215-218

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004334.cif $ #-------------------------------------------------------------------...

2,004,335

10.48

0.003

8.926

0.003

19.503

0.006

90

null

90

null

90

null

1,824.4

1

293

null

4

P b c a

-P 2ac 2ab

61

- C9 H9 N S2 -

- C72 H72 N8 S16 -

8

1

AB1284

Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.

5-tert-Butylthiazolidine-2-thione and 5-Phenylthiazolidine-2-thione

Acta Crystallographica Section C

1,996

52

1

215

218

10.1107/S0108270195010699

0.71073

MoKα

null

0.038

null

0.04

null

1.223

null

has coordinates

Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M. 5-tert-Butylthiazolidine-2-thione and 5-Phenylthiazolidine-2-thione Acta Crystallographica Section C 52(1) (1996) 215-218

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004335.cif $ #-------------------------------------------------------------------...

2,004,336

18.028

0.002

18.173

0.003

18.856

0.003

90

null

113.985

0.011

90

null

5,644.2

1.5

294

1

294

1

null

5

P 1 21/c 1

-P 2ybc

14

Racemic cis-dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)

- C22 H38 Cl2 O4 Ti -

- C176 H304 Cl16 O32 Ti8 -

8

2

AB1297

Glidewell, C.; Turner, G. M.; Ferguson, G.

Racemic cis-Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)

Acta Crystallographica Section C

1,996

52

1

11

14

10.1107/S0108270195012224

0.7107

MolybdenumKα

0.2081

0.065

null

0.2157

0.1796

null

0.884

1.376

null

has coordinates,has disorder

Glidewell, C.; Turner, G. M.; Ferguson, G. Racemic cis-Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV) Acta Crystallographica Section C 52(1) (1996) 11-14

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004336.cif $ #-------------------------------------------------------------------...

2,004,337

8.7777

0.0007

16.8264

0.0018

11.3773

0.0009

90

null

93.077

0.007

90

null

1,678

0.3

294

1

294

1

null

4

P 1 21/c 1

-P 2ybc

14

5-Dimethylamino-2-methoxy-3-methyl-6-[1,2-(Z)-dicarbomethoxyvinyl]amino pyrimidin-4-(3H)-one

- C14 H20 N4 O6 -

- C56 H80 N16 O24 -

4

1

AB1307

Low, J. N.; Ferguson, G.; Cobo, J.; Nogueras, M.; Sánchez, A.

6-[1,2-(Z)-Bis(methoxycarbonyl)vinyl]amino-5-dimethylamino-2-methoxy-3-methyl-4(3H)-pyrimidinone

Acta Crystallographica Section C

1,996

52

1

254

256

10.1107/S0108270195012613

0.7107

MoKα

0.0607

0.0386

null

0.1169

0.1098

null

1.058

1.197

null

has coordinates

Low, J. N.; Ferguson, G.; Cobo, J.; Nogueras, M.; Sánchez, A. 6-[1,2-(Z)-Bis(methoxycarbonyl)vinyl]amino-5-dimethylamino-2-methoxy-3-methyl-4(3H)-pyrimidinone Acta Crystallographica Section C 52(1) (1996) 254-256

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004337.cif $ #-------------------------------------------------------------------...

4,322,295

11.5823

0.0011

10.7906

0.0012

10.4487

0.001

90

null

100.867

0.007

90

null

1,282.5

0.2

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C10 H8 O4 P2 W -

- C40 H32 O16 P8 W4 -

4

1

Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies

Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands

Inorganic Chemistry

1,999

38

4705

4714

10.1021/ic9804216

0.71073

MoKα

0.0542

0.0427

null

0.1141

0.1064

null

1.026

1.063

null

has coordinates

Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands Inorganic Chemistry 38 (1999) 4705-4714

179,325

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:23:19 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179325 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322295.cif $ #-------------------------------------------------------------------...

2,004,338

7.2245

0.0015

8.7974

0.0013

9.181

0.002

81.627

0.013

80.521

0.013

76.58

0.015

556.31

0.19

294

1

294

1

null

4

P -1

-P 1

2

2-amino-4,5-dicarbomethoxy-6-methoxypyridine

- C10 H12 N2 O5 -

- C20 H24 N4 O10 -

2

1

AB1308

Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.

2-Amino-6-methoxy-4,5-di(methoxycarbonyl)pyridine and 2-Amino-4,5-di(methoxycarbonyl)-6-methylthiopyridine

Acta Crystallographica Section C

1,996

52

1

143

145

10.1107/S0108270195012601

0.7107

MoKα

0.0626

0.0468

null

0.1408

0.1335

null

1.127

1.246

null

has coordinates

Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A. 2-Amino-6-methoxy-4,5-di(methoxycarbonyl)pyridine and 2-Amino-4,5-di(methoxycarbonyl)-6-methylthiopyridine Acta Crystallographica Section C 52(1) (1996) 143-145

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004338.cif $ #-------------------------------------------------------------------...

2,004,339

8.072

0.001

8.6448

0.0014

8.99

0.002

94.35

0.02

111.133

0.013

91.703

0.013

582.35

0.18

294

1

294

1

null

5

P -1

-P 1

2

2-amino-4,5-dicarbomethoxy-6-methylthiopyridine

- C10 H12 N2 O4 S -

- C20 H24 N4 O8 S2 -

2

1

AB1308

Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.

2-Amino-6-methoxy-4,5-di(methoxycarbonyl)pyridine and 2-Amino-4,5-di(methoxycarbonyl)-6-methylthiopyridine

Acta Crystallographica Section C

1,996

52

1

143

145

10.1107/S0108270195012601

0.7107

MoKα

0.0424

0.0347

null

0.0959

0.0922

null

1.033

1.091

null

has coordinates

Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A. 2-Amino-6-methoxy-4,5-di(methoxycarbonyl)pyridine and 2-Amino-4,5-di(methoxycarbonyl)-6-methylthiopyridine Acta Crystallographica Section C 52(1) (1996) 143-145

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004339.cif $ #-------------------------------------------------------------------...

2,004,340

6.9874

0.0004

10.647

0.002

27.0341

0.0016

90

null

90

null

90

null

2,011.2

0.4

294

1

294

1

null

5

P 21 21 21

P 2ac 2ab

19

2-methylthio-5-nitroso-6-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino- pyrimidin-4-(3H)-one

- C16 H20 N4 O9 S -

- C64 H80 N16 O36 S4 -

4

1

AB1309

Cobo, J.; Melguizo, M.; Sánchez, A.; Nogueras, M.; Low, J. N.; Ferguson, G.

2-Methylthio-5-nitroso-6-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4(3H)-pyrimidinone

Acta Crystallographica Section C

1,996

52

1

148

150

10.1107/S0108270195012595

0.7107

MoKα

0.1538

0.0575

null

0.1967

0.1578

null

0.913

1.198

null

has coordinates

Cobo, J.; Melguizo, M.; Sánchez, A.; Nogueras, M.; Low, J. N.; Ferguson, G. 2-Methylthio-5-nitroso-6-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4(3H)-pyrimidinone Acta Crystallographica Section C 52(1) (1996) 148-150

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004340.cif $ #-------------------------------------------------------------------...

2,004,341

7.8019

0.001

15.889

0.002

10.202

0.002

90

null

96.24

0.02

90

null

1,257.2

0.3

294

1

294

1

null

4

P 1 21 1

P 2yb

4

2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4,5-dicarbomethoxy-6-methoxy- pyridine

- C21 H26 N2 O12 -

- C42 H52 N4 O24 -

2

1

AB1310

Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.

6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)aminopyridine and 4,5-Di(methoxycarbonyl)-6-methylthio-2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)aminopyridine

Acta Crystallographica Section C

1,996

52

1

145

148

10.1107/S0108270195012583

0.7107

MoKα

0.0747

0.0417

null

0.1028

0.0932

null

1.009

1.18

null

has coordinates

Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A. 6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)aminopyridine and 4,5-Di(methoxycarbonyl)-6-methylthio-2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)aminopyridine Acta Crystallogra...

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004341.cif $ #-------------------------------------------------------------------...

2,004,342

7.8583

0.0009

15.842

0.002

10.368

0.002

90

null

94.047

0.014

90

null

1,287.5

0.3

294

1

294

1

null

5

P 1 21 1

P 2yb

4

2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4,5-dicarbomethoxy-6- methylthiopyridine

- C21 H26 N2 O11 S -

- C42 H52 N4 O22 S2 -

2

1

AB1310

Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.

6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)aminopyridine and 4,5-Di(methoxycarbonyl)-6-methylthio-2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)aminopyridine

Acta Crystallographica Section C

1,996

52

1

145

148

10.1107/S0108270195012583

0.7107

MoKα

0.0786

0.0459

null

0.1131

0.1032

null

0.993

1.161

null

has coordinates

Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A. 6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)aminopyridine and 4,5-Di(methoxycarbonyl)-6-methylthio-2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)aminopyridine Acta Crystallogra...

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004342.cif $ #-------------------------------------------------------------------...

4,322,294

12.236

0.002

14.419

0.002

22.748

0.004

76.441

0.013

75.981

0.015

70.978

0.012

3,628

1.1

193

2

193

2

null

7

P -1

-P 1

2

- C85 H70 N4 O4 P4 S W -

- C170 H140 N8 O8 P8 S2 W2 -

2

1

Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies

Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands

Inorganic Chemistry

1,999

38

4705

4714

10.1021/ic9804216

0.71073

MoKa

0.1336

0.0713

null

0.1672

0.1357

null

1.017

1.057

null

has coordinates

Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands Inorganic Chemistry 38 (1999) 4705-4714

179,325

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:23:19 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179325 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322294.cif $ #-------------------------------------------------------------------...

2,004,343

4.6528

0.0006

8.98

0.0009

20.5944

0.0014

90

null

91.752

0.008

90

null

860.08

0.15

294

1

294

1

null

4

P 1 21/n 1

-P 2yn

14

6-Amino-1-methyl-5-hydroxoiminomethyluracil Hydrate

- C6 H10 N4 O4 -

- C24 H40 N16 O16 -

4

1

AB1318

Low, J. N.; Whyte, E. R.; Ferguson, G.; Moreno-Carretero, M. N.; Hueso-Ureña, F.

6-Amino-5-hydroxyiminomethyl-1-methyluracil Hydrate

Acta Crystallographica Section C

1,996

52

1

170

172

10.1107/S0108270195013229

0.7107

MoKα

0.0977

0.0453

null

0.1159

0.102

null

0.968

1.152

null

has coordinates

Low, J. N.; Whyte, E. R.; Ferguson, G.; Moreno-Carretero, M. N.; Hueso-Ureña, F. 6-Amino-5-hydroxyiminomethyl-1-methyluracil Hydrate Acta Crystallographica Section C 52(1) (1996) 170-172

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004343.cif $ #-------------------------------------------------------------------...

2,004,344

10.3023

0.0009

6.6712

0.0007

33.0305

0.0004

90

null

95.489

0.008

90

null

2,259.7

0.3

294

1

294

1

null

4

P 1 21/c 1

-P 2ybc

14

1:1 mixture of N,N'-bis(trans-2-phenyl-5-hydroxymethyl-1,3-dioxan-5- yl)ethanediamide and N,N'-bis(cis-2-phenyl-5-hydroxymethyl-1,3-dioxan-5- yl)ethanediamide

- C24 H28 N2 O8 -

- C96 H112 N8 O32 -

4

1

AB1322

Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.

Co-Crystallization of Stereoisomers of N,N'-Bis(2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide

Acta Crystallographica Section C

1,996

52

1

228

231

10.1107/S0108270195014478

0.7107

MolybdenumKα

0.1013

0.0423

null

0.1075

0.0941

null

0.933

1.126

null

has coordinates

Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G. Co-Crystallization of Stereoisomers of N,N'-Bis(2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide Acta Crystallographica Section C 52(1) (1996) 228-231

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004344.cif $ #-------------------------------------------------------------------...

2,004,345

6.2996

0.0011

31.207

0.0012

6.378

0.003

90

null

110.57

0.02

90

null

1,173.9

0.6

294

1

294

1

null

4

P 1 21/c 1

-P 2ybc

14

N,N'-bis(trans-2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide

- C24 H28 N2 O8 -

- C48 H56 N4 O16 -

2

0.5

AB1322

Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.

Co-Crystallization of Stereoisomers of N,N'-Bis(2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide

Acta Crystallographica Section C

1,996

52

1

228

231

10.1107/S0108270195014478

0.7107

MolybdenumKα

0.1309

0.0517

null

0.1568

0.1162

null

0.909

1.107

null

has coordinates

Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G. Co-Crystallization of Stereoisomers of N,N'-Bis(2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide Acta Crystallographica Section C 52(1) (1996) 228-231

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004345.cif $ #-------------------------------------------------------------------...

2,004,346

7.307

0.002

12.327

0.001

12.33

0.003

90

null

100.12

0.01

90

null

1,093.3

0.4

298

2

null

4

P 1 21/a 1

-P 2yab

14

- C9 H9 N5 O5 -

- C36 H36 N20 O20 -

4

1

AS1156

Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.

Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1H-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid

Acta Crystallographica Section C

1,996

52

1

231

235

10.1107/S0108270195010602

0.71073

MoKα

null

0.035

null

0.091

null

1.05

null

has coordinates

Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L. Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1H-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid Acta Crystallographica Section C 52(1) (1996) 231-235

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004346.cif $ #-------------------------------------------------------------------...

2,004,347

24.07

0.005

4.332

0.003

11.8298

0.0005

90

null

90

null

90

null

1,233.5

0.9

298

2

null

4

P n a 21

P 2c -2n

33

- C9 H8 N6 O7 -

- C36 H32 N24 O28 -

4

1

AS1156

Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.

Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1H-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid

Acta Crystallographica Section C

1,996

52

1

231

235

10.1107/S0108270195010602

0.71073

MoKα

null

0.037

null

0.087

null

0.98

null

has coordinates

Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L. Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1H-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid Acta Crystallographica Section C 52(1) (1996) 231-235

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004347.cif $ #-------------------------------------------------------------------...

2,004,348

10.224

0.001

14.7

0.002

13.069

0.003

90

null

103.63

0.02

90

null

1,908.9

0.6

298

null

5

P 1 21/n 1

-P 2yn

14

- C14 H16 Cu2 I2 N6 -

- C56 H64 Cu8 I8 N24 -

4

1

AS1186

Sheu, S.-C.; Lee, G.-H.; Ho, T.-I.; Lin, Y.-C.; Peng, S.-M.

A Polymeric Cu^I^ Complex of Bis(1-pyrazolylmethyl)(2-pyridylmethyl)amine (BPPA), [Cu~2~(μ-BPPA)(μ-I)~2~]~n~

Acta Crystallographica Section C

1,996

52

1

56

59

10.1107/S0108270195009565

0.71073

MoKα

null

0.029

null

0.026

null

2.89

null

has coordinates

Sheu, S.-C.; Lee, G.-H.; Ho, T.-I.; Lin, Y.-C.; Peng, S.-M. A Polymeric Cu^I^ Complex of Bis(1-pyrazolylmethyl)(2-pyridylmethyl)amine (BPPA), [Cu~2~(μ-BPPA)(μ-I)~2~]~n~ Acta Crystallographica Section C 52(1) (1996) 56-59

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004348.cif $ #-------------------------------------------------------------------...

4,322,293

12.9778

0.0002

13.1556

0.0002

22.3756

0.0002

75.259

0.001

86.892

0.001

70.295

0.001

3,476.03

0.09

293

2

293

2

null

6

P -1

-P 1

2

- C51 H96 Cl3 Cu7 N24 O15 -

- C102 H192 Cl6 Cu14 N48 O30 -

2

1

Mi Young Han; Kil Sik Min; Myunghyun Paik Suh

Synthesis and Properties of a Molecular Dumbbell with Bis-μ4-oxo Copper(II/I) Hepta Metal Centers

Inorganic Chemistry

1,999

38

4374

4375

10.1021/ic990555z

0.71073

MoKα

0.0726

0.0554

null

0.1265

0.1382

null

1.076

null

has coordinates

Mi Young Han; Kil Sik Min; Myunghyun Paik Suh Synthesis and Properties of a Molecular Dumbbell with Bis-μ4-oxo Copper(II/I) Hepta Metal Centers Inorganic Chemistry 38 (1999) 4374-4375

301,838

2025-08-20

22:17:37

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322293.cif $ #-------------------------------------------------------------------...

2,004,349

7.242

0.007

14.634

0.004

13.772

0.005

90

null

97.89

0.07

90

null

1,445.7

1.6

296

null

4

P 1 21/c 1

-P 2ybc

14

- C16 H18 Al N -

- C64 H72 Al4 N4 -

4

1

AS1192

Wang, X.-M.; Sun, H.-S.; Wang, S.-X.; Huang, X.-Y.; You, X.-Z.

Adduct of AlMe~3~ with Benzo[f]quinoline

Acta Crystallographica Section C

1,996

52

1

35

37

10.1107/S0108270195009681

0.71069

MoKα

null

0.064

null

0.073

null

2.11

null

has coordinates

Wang, X.-M.; Sun, H.-S.; Wang, S.-X.; Huang, X.-Y.; You, X.-Z. Adduct of AlMe~3~ with Benzo[f]quinoline Acta Crystallographica Section C 52(1) (1996) 35-37

208,377

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208377 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004349.cif $ #-------------------------------------------------------------------...

2,004,350

9.451

0.003

11.916

0.002

23.938

0.007

90

null

90

null

90

null

2,695.9

1.2

173

2

173

2

null

5

P 21 21 21

P 2ac 2ab

19

1,3-Bis(orthochlorophenyl) thiourea.

- C13 H10 Cl2 N2 S -

- C104 H80 Cl16 N16 S8 -

8

2

AS1197

Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.

1,3-Bis(2-chlorophenyl)thiourea

Acta Crystallographica Section C

1,996

52

1

134

136

10.1107/S0108270195009693

0.71073

MoKα

0.061

0.0449

null

0.1162

0.1092

null

0.964

1.03

null

has coordinates

Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K. 1,3-Bis(2-chlorophenyl)thiourea Acta Crystallographica Section C 52(1) (1996) 134-136

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004350.cif $ #-------------------------------------------------------------------...

2,004,351

16.216

0.003

16.216

0.003

16.216

0.003

90

null

90

null

90

null

4,264.1

1.4

170

null

4

P a -3

-P 2ac 2ab 3

null

- C14 H37 Co P4 -

- C112 H296 Co8 P32 -

8

0.333333

BK1075

Stringer, G.; Taylor, N. J.; Marder, T. B.

Ethynyltetrakis(trimethylphosphine)cobalt(I), [Co(CCH){P(CH~3~)~3~}~4~]

Acta Crystallographica Section C

1,996

52

1

80

82

10.1107/S0108270195010304

0.71073

MoKα

null

0.0349

null

0.0331

null

1.41

null

has coordinates

Stringer, G.; Taylor, N. J.; Marder, T. B. Ethynyltetrakis(trimethylphosphine)cobalt(I), [Co(CCH){P(CH~3~)~3~}~4~] Acta Crystallographica Section C 52(1) (1996) 80-82

281,832

2023-03-13

7:41:56

#------------------------------------------------------------------------------ #$Date: 2023-03-13 09:35:08 +0200 (Mon, 13 Mar 2023) $ #$Revision: 281832 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004351.cif $ #-------------------------------------------------------------------...

2,004,352

6.132

0.005

13.956

0.018

5.507

0.009

90

null

103.2

0.1

90

null

458.8

1

293

2

null

5

P 1 21/c 1

-P 2ybc

14

- C4 H12 N2 O6 V2 -

- C8 H24 N4 O12 V4 -

2

0.5

BK1134

Tyrselová, J.; Kuchta, L.; Pavelcík, F.

Piperazine Metavanadate

Acta Crystallographica Section C

1,996

52

1

17

19

10.1107/S010827019500850X

0.71069

MoKα

null

0.034

null

0.0861

null

1.17

null

has coordinates

Tyrselová, J.; Kuchta, L.; Pavelcík, F. Piperazine Metavanadate Acta Crystallographica Section C 52(1) (1996) 17-19

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004352.cif $ #-------------------------------------------------------------------...

2,004,353

18.148

0.002

10.424

0.002

12.115

0.002

90

null

90.15

0.02

90

null

2,291.8

0.6

223

5

223

2

null

3

C 1 2/c 1

-C 2yc

15

3,3-dimethylglutaronitrile

1,5-dicyano-3,3-dimethylpentane

- C7 H10 N2 -

- C84 H120 N24 -

12

1.5

BK1139

Héroux, A.; Brisse, F.

3,3-Dimethylglutaronitrile

Acta Crystallographica Section C

1,996

52

1

224

226

10.1107/S0108270195011814

1.5418

CuKα

0.0517

0.043

null

0.1215

0.1168

null

1.065

1.136

null

has coordinates

Héroux, A.; Brisse, F. 3,3-Dimethylglutaronitrile Acta Crystallographica Section C 52(1) (1996) 224-226

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004353.cif $ #-------------------------------------------------------------------...

2,004,354

6.5104

0.0018

12.812

0.003

13.48

0.002

90

null

98.09

0.02

90

null

1,113.2

0.4

295

null

295

null

3

P 1 21 1

P 2yb

4

4-acetoxy-3(2'3'-epoxy-2'-methylbutyroyloxy)cuauhtemone

Rel-1S,2R,4aS,2'S,3'S-1-acetoxy-2-(2',3'-epoxy-2'- methylbutyroyloxy)-7-isopropylidene-1,4a-dimethyl-6-decalone

- C22 H32 O6 -

- C44 H64 O12 -

2

1

BK1143

Ahmed, A. A.; Ali, B. A.; Krawiec, M.; Watson, W. H.

5-O-Acetylcuauhtemonyl 6-O-2',3'-Epoxy-2'-methylbutyrate

Acta Crystallographica Section C

1,996

52

1

235

237

10.1107/S0108270195013424

1.54178

CuKα

null

0.0666

null

0.0631

null

3.21

null

has coordinates

Ahmed, A. A.; Ali, B. A.; Krawiec, M.; Watson, W. H. 5-O-Acetylcuauhtemonyl 6-O-2',3'-Epoxy-2'-methylbutyrate Acta Crystallographica Section C 52(1) (1996) 235-237

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004354.cif $ #-------------------------------------------------------------------...

2,004,355

29.321

0.023

18.671

0.017

4.693

0.003

90

null

90

null

90

null

2,569

3

220

2

220

2

null

5

P n a 21

P 2c -2n

33

6-(3-methoxyphenyl)-4-methylthio-2-oxo-2H-1-pyran-3-carbonitrile

- C14 H11 N O3 S -

- C112 H88 N8 O24 S8 -

8

2

BM1028

Kumar, A.; Kumar, N.; Parmar, V. S.; Errington, W.

3-Cyano-6-(3-methoxyphenyl)-4-methylthio-2-pyranone

Acta Crystallographica Section C

1,996

52

1

127

129

10.1107/S010827019500967X

0.71073

MoKα

0.0831

0.0513

null

0.1666

0.118

null

1.105

null

has coordinates

Kumar, A.; Kumar, N.; Parmar, V. S.; Errington, W. 3-Cyano-6-(3-methoxyphenyl)-4-methylthio-2-pyranone Acta Crystallographica Section C 52(1) (1996) 127-129

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004355.cif $ #-------------------------------------------------------------------...

2,004,356

6.16

0.004

16.172

0.006

17.307

0.007

90

null

90

null

90

null

1,724.1

1.5

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

N,N'-bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propandiamine

- C19 H22 N2 O2 -

- C76 H88 N8 O8 -

4

1

BM1029

Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.

N,N'-Bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine

Acta Crystallographica Section C

1,996

52

1

125

127

10.1107/S0108270195009917

0.71073

MoKα

0.1045

0.0378

null

0.0773

0.064

null

0.657

0.895

null

has coordinates

Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H. N,N'-Bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine Acta Crystallographica Section C 52(1) (1996) 125-127

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004356.cif $ #-------------------------------------------------------------------...

2,004,357

5.392

0.002

67.18

0.08

5.374

0.003

90

null

90

null

90

null

1,947

3

288

null

4

P 21 21 2

P 2 2ab

18

- C36 H76 Br N -

- C72 H152 Br2 N2 -

2

0.5

BM1031

Nyburg, S. C.

Di-n-octadecylammonium Bromide

Acta Crystallographica Section C

1,996

52

1

192

194

10.1107/S0108270195012777

1.54184

CuKα

null

0.109

null

0.114

null

8.22

null

has coordinates

Nyburg, S. C. Di-n-octadecylammonium Bromide Acta Crystallographica Section C 52(1) (1996) 192-194

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004357.cif $ #-------------------------------------------------------------------...

2,004,358

13.801

0.001

10.491

0.001

11.795

0.001

90

null

105.03

0.01

90

null

1,649.3

0.3

296

null

4

P 1 21/c 1

-P 2ybc

null

Phenyl-(2-trimethylsilylethynyl)phenylmethanone

- C18 H18 O Si -

- C72 H72 O4 Si4 -

4

1

BM1032

Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.

Phenyl 2-(Trimethylsilylethynyl)phenyl Ketone and 2-(Trimethylsilylethynyl)benzaldehyde

Acta Crystallographica Section C

1,996

52

1

259

262

10.1107/S0108270195011243

0.71073

MoKα

null

0.056

null

0.046

null

1.628

null

has coordinates

Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R. Phenyl 2-(Trimethylsilylethynyl)phenyl Ketone and 2-(Trimethylsilylethynyl)benzaldehyde Acta Crystallographica Section C 52(1) (1996) 259-262

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004358.cif $ #-------------------------------------------------------------------...

2,004,359

7.1006

0.0005

16.88

0.002

10.1754

0.0005

90

null

90

null

90

null

1,219.6

0.18

297

null

4

I m a 2

null

(2-trimethylsilylethynyl)-benzaldehyde

- C12 H14 O Si -

- C48 H56 O4 Si4 -

4

0.5

BM1032

Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.

Phenyl 2-(Trimethylsilylethynyl)phenyl Ketone and 2-(Trimethylsilylethynyl)benzaldehyde

Acta Crystallographica Section C

1,996

52

1

259

262

10.1107/S0108270195011243

1.54184

CuKα

null

0.032

null

0.043

null

2.289

null

has coordinates

Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R. Phenyl 2-(Trimethylsilylethynyl)phenyl Ketone and 2-(Trimethylsilylethynyl)benzaldehyde Acta Crystallographica Section C 52(1) (1996) 259-262

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004359.cif $ #-------------------------------------------------------------------...

4,322,292

14.336

0.007

9.713

0.004

19.524

0.008

90

null

92.71

0.04

90

null

2,716

2

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

- C28 H31 N2 O5 V -

- C112 H124 N8 O20 V4 -

4

1

Sankar Prasad Rath; Kajal Krishna Rajak; Animesh Chakravorty

Synthesis, Structure, and Catecholase Reaction of a Vanadate Ester System Incorporating Monoionized Catechol Chelation

Inorganic Chemistry

1,999

38

4376

4377

10.1021/ic990551u

0.71073

MoKα

0.1312

0.0636

null

0.1844

0.135

null

1.046

1.147

null

has coordinates

Sankar Prasad Rath; Kajal Krishna Rajak; Animesh Chakravorty Synthesis, Structure, and Catecholase Reaction of a Vanadate Ester System Incorporating Monoionized Catechol Chelation Inorganic Chemistry 38 (1999) 4376-4377

301,838

2025-08-20

22:17:37

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322292.cif $ #-------------------------------------------------------------------...

2,004,360

9.006

0.002

9.655

0.003

12.468

0.003

97.16

0.02

97.22

0.02

97.22

0.02

1,056.1

0.5

293

2

293

2

null

4

P -1

-P 1

2

1-(Benzo[a]phenazin-5-yl)-2-acetyloxynaphthalene

- C28 H18 N2 O2 -

- C56 H36 N4 O4 -

2

1

BM1035

McKee, V.; McCann, M.; Connaughton, N. C.; Kennedy, M. G.

1-(Benzo[a]phenazin-5-yl)-2-acetyloxy-naphthalene, C~28~H~18~N~2~O~2~

Acta Crystallographica Section C

1,996

52

1

222

224

10.1107/S0108270195014028

0.71073

MoKα

0.1268

0.0599

null

0.1633

0.1273

null

1.044

1.164

null

has coordinates

McKee, V.; McCann, M.; Connaughton, N. C.; Kennedy, M. G. 1-(Benzo[a]phenazin-5-yl)-2-acetyloxy-naphthalene, C~28~H~18~N~2~O~2~ Acta Crystallographica Section C 52(1) (1996) 222-224

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004360.cif $ #-------------------------------------------------------------------...

2,004,361

11.7739

0.0013

11.7739

0.0013

11.7739

0.0013

90

null

90

null

90

null

1,632.2

0.3

293

null

293

null

5

F -4 3 m

F -4 2 3

216

- C8 H12 Li N5 Zn -

- C32 H48 Li4 N20 Zn4 -

4

0.041667

BR1114

Bu, X.; Gier, T. E.; Stucky, G. D.

Tetramethylammonium Lithium Zinc Cyanide, [N(CH~3~)~4~]LiZn(CN)~4~

Acta Crystallographica Section C

1,996

52

1

14

16

10.1107/S0108270195009176

0.7093

MolybdenumKα

0.031

null

0.033

null

3.05

null

has coordinates

Bu, X.; Gier, T. E.; Stucky, G. D. Tetramethylammonium Lithium Zinc Cyanide, [N(CH~3~)~4~]LiZn(CN)~4~ Acta Crystallographica Section C 52(1) (1996) 14-16

198,643

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-07-11 19:31:59 +0300 (Tue, 11 Jul 2017) $ #$Revision: 198643 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004361.cif $ #-------------------------------------------------------------------...

2,004,362

7.4251

0.0008

12.79

0.003

13.723

0.002

90

null

90

null

90

null

1,303.2

0.4

292

null

292

null

6

C m c m

-C 2c 2

63

Neodymium cobalt hexacyanide tetrahydrate

Neodymium hexacyanocobaltate (III) tetrahydrate

- C6 H8 Co N6 Nd O4 -

- C6 Co N6 Nd O4 -

- C24 Co4 N24 Nd4 O16 -

4

0.25

BR1115

Mullica, D. F.; Hayward, P. K.; Sappenfield, E. L.

Neodymium Hexacyanocobaltate(III) Tetrahydrate

Acta Crystallographica Section C

1,996

52

1

61

63

10.1107/S0108270195010316

0.71073

MoKα

0.024

0.022

null

0.214

0.038

null

1.301

null

has coordinates

Mullica, D. F.; Hayward, P. K.; Sappenfield, E. L. Neodymium Hexacyanocobaltate(III) Tetrahydrate Acta Crystallographica Section C 52(1) (1996) 61-63

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004362.cif $ #-------------------------------------------------------------------...

2,004,363

13.184

0.002

9.077

0.002

17.75

0.004

90

null

91.98

0.01

90

null

2,122.9

0.7

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

N-Hexyl-N-phenyl-2-(5-ethylthioindole)carboxamide

- C23 H28 N2 O S -

- C92 H112 N8 O4 S4 -

4

1

CF1000

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P.

N-Hexyl-N-phenyl-5-ethylthioindole-2-carboxamide

Acta Crystallographica Section C

1,996

52

1

197

199

10.1107/S0108270195007414

1.54178

CuKα

0.1866

0.0636

null

0.2605

0.1629

null

1.004

1.258

null

has coordinates,has disorder

Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P. N-Hexyl-N-phenyl-5-ethylthioindole-2-carboxamide Acta Crystallographica Section C 52(1) (1996) 197-199

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004363.cif $ #-------------------------------------------------------------------...

2,004,364

12.0031

0.001

19.527

0.003

13.953

0.002

90

null

102.3

0.009

90

null

3,195.3

0.7

293

2

293

2

null

3

P 1 21/n 1

-P 2yn

14

1,2-Bis[penta(phenylthio)phenyl]ethane

- C74 H54 S10 -

- C148 H108 S20 -

2

0.5

CF1010

Henderson, R. K.; MacNicol, D. D.; Rowan, S. J.

1,2-Bis[2,3,4,5,6-pentakis(phenylthio)phenyl]ethane

Acta Crystallographica Section C

1,996

52

1

210

212

10.1107/S0108270195012716

0.71073

MoKα

0.2186

0.0609

null

0.1877

0.1296

null

0.998

1.136

null

has coordinates

Henderson, R. K.; MacNicol, D. D.; Rowan, S. J. 1,2-Bis[2,3,4,5,6-pentakis(phenylthio)phenyl]ethane Acta Crystallographica Section C 52(1) (1996) 210-212

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004364.cif $ #-------------------------------------------------------------------...

2,004,365

10.6896

0.0009

11.9963

0.0009

18.399

0.002

90

null

98.748

0.008

90

null

2,332

0.4

294

2

294

2

null

6

P 1 21/n 1

-P 2yn

14

cyclopentadienyl(phenylthiolato)bis(t-butylisocyanide)carbonylmolybdenum(II)

- C22 H28 Mo N2 O S -

- C88 H112 Mo4 N8 O4 S4 -

4

1

CF1015

McDermott, L. C.; Muir, K. W.; Pétillon, F. Y.; Poder-Guillou, S.; Schollhammer, P.

cis-(Benzenethiolato)bis(tert-butyl isocyanide)carbonyl(cyclopentadienyl)molybdenum(II), [Mo(C~6~H~5~S)(C~5~H~9~N)~2~(C~5~H~5~)(CO)]

Acta Crystallographica Section C

1,996

52

1

74

77

10.1107/S0108270195009486

0.71073

MoKα

0.1061

0.0522

null

0.1117

0.092

null

1.009

1.064

null

has coordinates

McDermott, L. C.; Muir, K. W.; Pétillon, F. Y.; Poder-Guillou, S.; Schollhammer, P. cis-(Benzenethiolato)bis(tert-butyl isocyanide)carbonyl(cyclopentadienyl)molybdenum(II), [Mo(C~6~H~5~S)(C~5~H~9~N)~2~(C~5~H~5~)(CO)] Acta Crystallographica Section C 52(1) (1996) 74-77

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004365.cif $ #-------------------------------------------------------------------...

2,004,366

25.4909

0.0004

14.586

0.0012

7.4

0.002

90

null

90

null

90

null

2,751.4

0.8

150

null

150

null

2

P n a 21

P 2c -2n

33

triphenylmethane

- C19 H16 -

- C152 H128 -

8

2

CF1020

Veldman, N.; Spek, A. L.; Schlotter, J. J. H.; Zwikker, J. W.; Jenneskens, L. W.

Low-Temperature Triphenylmethane

Acta Crystallographica Section C

1,996

52

1

174

177

10.1107/S0108270195011164

0.71073

MoKα

0.129

0.054

null

0.129

null

0.971

null

has coordinates

Veldman, N.; Spek, A. L.; Schlotter, J. J. H.; Zwikker, J. W.; Jenneskens, L. W. Low-Temperature Triphenylmethane Acta Crystallographica Section C 52(1) (1996) 174-177

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004366.cif $ #-------------------------------------------------------------------...

2,004,367

9.2634

0.001

13.9834

0.0014

14.2332

0.0012

90

null

90.701

0.011

90

null

1,843.5

0.3

294

1

294

1

null

5

P 1 21/n 1

-P 2yn

14

trans-Tetracarbonylbis(tri-t-butyl phosphite)molybdenum(0)

- C28 H54 Mo O10 P2 -

- C56 H108 Mo2 O20 P4 -

2

0.5

CF1022

Alyea, E. C.; Ferguson, G.; Song, S.-Q.

trans-Tetracarbonylbis(tri-tert-butyl phosphite)molybdenum(0)

Acta Crystallographica Section C

1,996

52

1

66

69

10.1107/S0108270195007803

0.7107

MoKα

0.0607

0.0388

null

0.1059

0.0992

null

1.034

1.141

null

has coordinates

Alyea, E. C.; Ferguson, G.; Song, S.-Q. trans-Tetracarbonylbis(tri-tert-butyl phosphite)molybdenum(0) Acta Crystallographica Section C 52(1) (1996) 66-69

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004367.cif $ #-------------------------------------------------------------------...

2,004,368

9.8502

0.0011

20.462

0.002

9.2056

0.0012

90

null

90

null

90

null

1,855.4

0.4

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

2-Cyano-2-methylsparteine perchlorate

- C17 H28 Cl N3 O4 -

- C68 H112 Cl4 N12 O16 -

4

1

CF1028

Kubicki, M.; Borowiak, T.; Boczoń, Wł.

2-Cyano-2-methylsparteine Perchlorate

Acta Crystallographica Section C

1,996

52

1

226

228

10.1107/S0108270195011231

1.54178

CuKα

0.055

null

0.148

null

1.055

null

has coordinates,has disorder,has Fobs

Kubicki, M.; Borowiak, T.; Boczoń, Wł. 2-Cyano-2-methylsparteine Perchlorate Acta Crystallographica Section C 52(1) (1996) 226-228

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004368.cif $ #-------------------------------------------------------------------...

2,004,369

22.162

0.017

5.565

0.004

10.57

0.011

90

null

109.33

0.07

90

null

1,230.1

1.9

220

2

220

2

null

4

C 1 2/c 1

-C 2yc

15

5-nitro-2-furan carboxylic acid

- C5 H3 N O5 -

- C40 H24 N8 O40 -

8

1

CF1029

Alcock, N. W.; Errington, W.; Kemp, T. J.; Leciejewicz, J.

5-Nitro-2-furancarboxylic Acid

Acta Crystallographica Section C

1,996

52

1

188

189

10.1107/S0108270195012789

0.71073

MoKα

0.0429

0.0355

null

0.0958

0.0897

null

1.05

1.071

null

has coordinates,has Fobs

Alcock, N. W.; Errington, W.; Kemp, T. J.; Leciejewicz, J. 5-Nitro-2-furancarboxylic Acid Acta Crystallographica Section C 52(1) (1996) 188-189

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004369.cif $ #-------------------------------------------------------------------...

2,004,370

14.341

0.005

12.451

0.007

23.866

0.013

90

null

90

null

90

null

4,262

4

293

null

6

P b c n

-P 2n 2ab

60

- C29 H72 Cl2 Cu3 N8 O5 -

- C30 H76 Cl2 Cu3 N8 O6 -

- C120 H304 Cl8 Cu12 N32 O24 -

4

0.5

CF1030

Wang, S.

Cu~3~(bdmap)~4~Cl~2~(CH~3~OH), bdmap = 1,3-Bis(dimethylamino)-2-propanolato. A Clamp-Shaped Molecule

Acta Crystallographica Section C

1,996

52

1

41

43

10.1107/S0108270195009462

0.71073

MoKα

null

0.068

null

0.052

null

2.42

null

has coordinates

Wang, S. Cu~3~(bdmap)~4~Cl~2~(CH~3~OH), bdmap = 1,3-Bis(dimethylamino)-2-propanolato. A Clamp-Shaped Molecule Acta Crystallographica Section C 52(1) (1996) 41-43

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004370.cif $ #-------------------------------------------------------------------...

4,322,291

17.637

0.007

18.337

0.005

20.466

0.012

103.04

0.04

94.71

0.04

94.28

0.03

6,397

5

153

5

153

5

null

6

P -1

-P 1

2

(THF)8Sm8Se6(SPh)12,3(THF)

- C116 H148 O11 S12 Se6 Sm8 -

- C232 H296 O22 S24 Se12 Sm16 -

2

1

Deborah Freedman; Thomas J. Emge; John G. Brennan

(THF)8Ln8E6(EPh)12 Cluster Reactivity: Systematic Control of Ln, E, EPh, and Neutral Donor Ligands

Inorganic Chemistry

1,999

38

4400

4404

10.1021/ic9905493

0.71073

MoKα

0.0473

0.0349

null

0.0845

0.0879

null

1.058

null

has coordinates,has disorder

Deborah Freedman; Thomas J. Emge; John G. Brennan (THF)8Ln8E6(EPh)12 Cluster Reactivity: Systematic Control of Ln, E, EPh, and Neutral Donor Ligands Inorganic Chemistry 38 (1999) 4400-4404

301,838

2025-08-20

22:17:37

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322291.cif $ #-------------------------------------------------------------------...

2,004,371

8.269

0.004

11.31

0.005

12.332

0.005

92.45

0.03

95.02

0.03

105.78

0.04

1,102.9

0.9

150

0.2

150

0.2

null

6

P -1

-P 1

2

catena-{1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane-S,S'-mercury(II)- bis(μ-chloro)-mercury(II)dichloride}

- C12 H24 Cl4 Hg2 O4 S2 -

- C24 H48 Cl8 Hg4 O8 S4 -

2

1

CF1033

Blake, A. J.; Parsons, S.; Radek, C.; Schröder, M.

catena-{[HgCl~2~([18]aneS~2~O~4~)]HgCl~2~} at 150K: a Redetermination and Reinterpretation

Acta Crystallographica Section C

1,996

52

1

21

24

10.1107/S0108270195008717

0.71073

MoKα

0.0375

0.0342

null

0.0933

0.0871

null

1.109

1.119

null

has coordinates

Blake, A. J.; Parsons, S.; Radek, C.; Schröder, M. catena-{[HgCl~2~([18]aneS~2~O~4~)]HgCl~2~} at 150K: a Redetermination and Reinterpretation Acta Crystallographica Section C 52(1) (1996) 21-24

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004371.cif $ #-------------------------------------------------------------------...

2,004,372

12.525

0.003

8.49

0.002

15.697

0.006

90

null

104.19

0.03

90

null

1,618.2

0.9

299

null

3

P 1 21/a 1

-P 2yab

14

- C18 H24 O3 -

- C72 H96 O12 -

4

1

CR1175

Gi, H.-J.; Wang, T.; Zhao, K.

1β-(4-Methoxybenzyl)-8α-vinyl-7-oxabicyclo[4.3.0]nonan-6β-ol

Acta Crystallographica Section C

1,996

52

1

186

187

10.1107/S0108270195008225

0.71073

MoKα

null

0.057

null

0.061

null

5.7

null

has coordinates

Gi, H.-J.; Wang, T.; Zhao, K. 1β-(4-Methoxybenzyl)-8α-vinyl-7-oxabicyclo[4.3.0]nonan-6β-ol Acta Crystallographica Section C 52(1) (1996) 186-187

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004372.cif $ #-------------------------------------------------------------------...

2,004,373

7.0549

0.001

12.4741

0.001

14.1928

0.001

90

null

90

null

90

null

1,249

0.2

295

null

295

null

4

P 21 21 21

P 2ac 2ab

19

- C12 H11 N3 O5 -

- C48 H44 N12 O20 -

4

1

CR1177

Moreno Fuquen, R.; De Almeida Santos, R. H.; Lechat, J. R.

The 1:1 Complex Formed by 4-Nitropyridine N-Oxide and 4-Aminobenzoic Acid

Acta Crystallographica Section C

1,996

52

1

220

222

10.1107/S0108270195010262

0.71073

MoKα

0.0665

0.0448

null

0.131

0.1134

null

1.83

1.796

null

has coordinates

Moreno Fuquen, R.; De Almeida Santos, R. H.; Lechat, J. R. The 1:1 Complex Formed by 4-Nitropyridine N-Oxide and 4-Aminobenzoic Acid Acta Crystallographica Section C 52(1) (1996) 220-222

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004373.cif $ #-------------------------------------------------------------------...

2,004,374

9.302

0.0008

14.08

0.001

14.1587

0.0012

90

null

90

null

90

null

1,854.4

0.3

296

1

296

1

null

5

P 21 21 21

P 2ac 2ab

19

3-O-Acetyl-7,8-dihydromorphine-6-O-sulfate

- C19 H23 N O7 S -

- C76 H92 N4 O28 S4 -

4

1

CR1191

Brock, C. P.; Kottayil, S.; Butterfield, D. A.; Crooks, P. A.

A Dihydromorphine-6-O-sulfate

Acta Crystallographica Section C

1,996

52

1

122

125

10.1107/S0108270195010250

0.71073

MoKα

0.1287

0.0419

null

0.1224

0.0994

null

1.007

1.163

null

has coordinates

Brock, C. P.; Kottayil, S.; Butterfield, D. A.; Crooks, P. A. A Dihydromorphine-6-O-sulfate Acta Crystallographica Section C 52(1) (1996) 122-125

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004374.cif $ #-------------------------------------------------------------------...

2,004,375

7.179

0.0004

7.819

0.0004

17.987

0.002

90

null

92.44

0.01

90

null

1,008.74

0.14

295

null

3

P 1 21/c 1

-P 2ybc

null

1-Bromo-2,7-dimethylnaphthalene

- C12 H11 Br -

- C48 H44 Br4 -

4

1

CR1195

Brown, L. A.; Laxman, R. K.; Maverick, A. W.; Fronczek, F. R.

1-Bromo-2,7-dimethylnaphthalene

Acta Crystallographica Section C

1,996

52

1

95

97

10.1107/S0108270195010274

0.71073

MoKα

null

0.058

null

0.042

null

1.657

null

has coordinates

Brown, L. A.; Laxman, R. K.; Maverick, A. W.; Fronczek, F. R. 1-Bromo-2,7-dimethylnaphthalene Acta Crystallographica Section C 52(1) (1996) 95-97

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004375.cif $ #-------------------------------------------------------------------...

2,004,376

17.649

0.003

16.428

0.001

18.743

0.003

90

null

106.636

0.007

90

null

5,206.8

1.3

298

null

298

null

5

P 1 21/c 1

-P 2ybc

14

Dicyclohexylammonium bis(dimethyldithiocarbamyl)acetate

- C20 H37 N3 O2 S4 -

- C160 H296 N24 O16 S32 -

8

2

DE1009

Ng, S. W.

Dicyclohexylammonium Bis(dimethyldithiocarbamyl)acetate

Acta Crystallographica Section C

1,996

52

1

181

183

10.1107/S0108270195011279

0.71073

MoKα

0.0764

0.0462

null

0.1225

0.1055

null

1.015

1.059

null

has coordinates

Ng, S. W. Dicyclohexylammonium Bis(dimethyldithiocarbamyl)acetate Acta Crystallographica Section C 52(1) (1996) 181-183

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004376.cif $ #-------------------------------------------------------------------...

2,004,377

14.265

0.004

14.261

0.003

3.305

0.001

88.41

0.02

91.7

0.03

119.95

0.03

582.2

0.3

295

2

null

4

P 1

1

- C Li Na O3 -

- C9 Li9 Na9 O27 -

9

Yatsenko, Alexandr V.; Zhukov, Sergei G.; D'yakov, Vladimir A.; Schenk, Hendrik.

Triclinic α-LiNaCO~3~

Acta Crystallographica, Section C: Crystal Structure Communications

1,996

52

1

3

10.1107/s0108270195010584

null

has coordinates

Yatsenko, Alexandr V.; Zhukov, Sergei G.; D'yakov, Vladimir A.; Schenk, Hendrik. Triclinic α-LiNaCO~3~ Acta Crystallographica, Section C: Crystal Structure Communications 52(1) (1996) 1-3

200,801

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-13 03:55:53 +0300 (Wed, 13 Sep 2017) $ #$Revision: 200801 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004377.cif $ #-------------------------------------------------------------------...

2,004,378

10.679

0.003

6.618

0.004

6.978

0.004

90

null

90

null

90

null

493.2

0.4

293

2

null

4

P n m a

-P 2ac 2n

62

- As K Mo O6 -

- As4 K4 Mo4 O24 -

4

0.5

Zid, M. F.; Jouini, T.

KMoO~2~AsO~4~

Acta Crystallographica, Section C: Crystal Structure Communications

1,996

52

1

3

5

10.1107/s0108270195010572

null

has coordinates

Zid, M. F.; Jouini, T. KMoO~2~AsO~4~ Acta Crystallographica, Section C: Crystal Structure Communications 52(1) (1996) 3-5

200,801

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-09-13 03:55:53 +0300 (Wed, 13 Sep 2017) $ #$Revision: 200801 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004378.cif $ #-------------------------------------------------------------------...

2,004,379

8.641

0.004

21.921

0.004

16.298

0.004

90

null

97.67

0.03

90

null

3,059.5

1.7

296

null

7

C 1 2/c 1

-C 2yc

15

- C12 H36 Ag2 N4 O S8 W2 -

- C48 H144 Ag8 N16 O4 S32 W8 -

4

0.5

FG1066

Huang, Q.; Wu, X.; Sheng, T.; Wang, Q.

The Polymeric Cluster Compound [(tmenH~2~).(W~2~Ag~2~S~8~).(tmen).(H~2~O)]~n~ (tmen = N,N,N',N'-Tetramethylethylenediamine)

Acta Crystallographica Section C

1,996

52

1

29

31

10.1107/S0108270195009000

0.71073

MoKα

null

0.053

null

0.054

null

1.44

null

has coordinates

Huang, Q.; Wu, X.; Sheng, T.; Wang, Q. The Polymeric Cluster Compound [(tmenH~2~).(W~2~Ag~2~S~8~).(tmen).(H~2~O)]~n~ (tmen = N,N,N',N'-Tetramethylethylenediamine) Acta Crystallographica Section C 52(1) (1996) 29-31

176,342

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-11 00:55:37 +0200 (Thu, 11 Feb 2016) $ #$Revision: 176342 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004379.cif $ #-------------------------------------------------------------------...

2,004,380

8.848

0.004

10.77

0.005

11.335

0.006

100.27

0.02

101.96

0.02

113.93

0.02

923.4

0.8

293

2

293

2

null

6

P -1

-P 1

2

Dicarbonyl(1,10-phenanthroline)[(1,2,3-η)-2-propenyl]molybdenum Trifluoroacetate

- C19 H13 F3 Mo N2 O4 -

- C38 H26 F6 Mo2 N4 O8 -

2

1

FG1067

Eriksson, L.; Sjögren, M. P. T.; Åkermark, B.

(η^3^-Allyl)dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (I), and [syn(1,2,3-η)-2-Butenyl]dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (II)

Acta Crystallographica Section C

1,996

52

1

77

80

10.1107/S0108270195009425

0.7106

MoKα

0.0366

0.0302

null

0.0744

0.0715

null

1.042

1.072

null

has coordinates

Eriksson, L.; Sjögren, M. P. T.; Åkermark, B. (η^3^-Allyl)dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (I), and [syn(1,2,3-η)-2-Butenyl]dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (II) Acta Crystallographica Section C 52(1) (1996) 77-80

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004380.cif $ #-------------------------------------------------------------------...

4,322,290

19.803

0.003

22.446

0.003

26.072

0.004

90

0.01

90

0.01

90

0.01

11,589

3

153

5

153

5

null

6

P c a b

-P 2bc 2ac

61

(THF)8Sm8S6(SePh)12

- C52 H62 O4 S3 Se6 Sm4 -

- C416 H496 O32 S24 Se48 Sm32 -

8

1

Deborah Freedman; Thomas J. Emge; John G. Brennan

(THF)8Ln8E6(EPh)12 Cluster Reactivity: Systematic Control of Ln, E, EPh, and Neutral Donor Ligands

Inorganic Chemistry

1,999

38

4400

4404

10.1021/ic9905493

0.71073

MoKα

0.1063

0.0439

null

0.085

0.093

null

1.029

null

has coordinates

Deborah Freedman; Thomas J. Emge; John G. Brennan (THF)8Ln8E6(EPh)12 Cluster Reactivity: Systematic Control of Ln, E, EPh, and Neutral Donor Ligands Inorganic Chemistry 38 (1999) 4400-4404

301,838

2025-08-20

22:17:37

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322290.cif $ #-------------------------------------------------------------------...

2,004,381

20.191

0.009

7.009

0.003

28.944

0.017

90

null

109.4

0.02

90

null

3,864

3

293

2

293

2

null

6

A 1 2/n 1

-A 2yab

15

Dicarbonyl(1,10-phenantroline)[syn-(1,2,3-η)-2-butenyl]molybdenum Trifluoroacetate

- C20 H15 F3 Mo N2 O4 -

- C160 H120 F24 Mo8 N16 O32 -

8

1

FG1067

Eriksson, L.; Sjögren, M. P. T.; Åkermark, B.

(η^3^-Allyl)dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (I), and [syn(1,2,3-η)-2-Butenyl]dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (II)

Acta Crystallographica Section C

1,996

52

1

77

80

10.1107/S0108270195009425

0.7106

MoKα

0.1339

0.0697

null

0.0905

0.0791

null

1.034

1.191

null

has coordinates

Eriksson, L.; Sjögren, M. P. T.; Åkermark, B. (η^3^-Allyl)dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (I), and [syn(1,2,3-η)-2-Butenyl]dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (II) Acta Crystallographica Section C 52(1) (1996) 77-80

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004381.cif $ #-------------------------------------------------------------------...

2,004,382

20.275

0.006

17.006

0.004

11.038

0.004

90

null

90

null

90

null

3,806

2

150

null

150

null

4

P b c a

-P 2ac 2ab

61

(dl)-Pheniramine hydrogen maleate

- C20 H2 N O4 -

- C20 H24 N2 O4 -

- C160 H192 N16 O32 -

8

1

FG1077

Parvez, M.; Rusiewicz, M.

DL-Pheniramine Hydrogen Maleate

Acta Crystallographica Section C

1,996

52

1

83

85

10.1107/S010827019501047X

0.71069

MoKα

null

0.069

null

0.069

null

2.64

null

has coordinates

Parvez, M.; Rusiewicz, M. DL-Pheniramine Hydrogen Maleate Acta Crystallographica Section C 52(1) (1996) 83-85

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004382.cif $ #-------------------------------------------------------------------...

2,004,383

15.915

0.002

10.777

0.002

14.387

0.002

90

null

92.681

0.012

90

null

2,464.9

0.7

173

2

173

2

null

5

C 1 2/c 1

-C 2yc

15

Bis(acetato)bis(pyridine-2-amidoxime-N,N')nickel(II) - Ethanol (1/2)

- C20 H32 N6 Ni O8 -

- C80 H128 N24 Ni4 O32 -

4

0.5

FG1090

Werner, M.; Berner, J.; Jones, P. G.

Bis(acetato)bis(pyridine-2-amidoxime-N,N')nickel(II)–Ethanol (1/2)

Acta Crystallographica Section C

1,996

52

1

72

74

10.1107/S0108270195009413

0.71073

MoKα

0.0686

0.0454

null

0.1002

0.0899

null

1.042

1.071

null

has coordinates

Werner, M.; Berner, J.; Jones, P. G. Bis(acetato)bis(pyridine-2-amidoxime-N,N')nickel(II)–Ethanol (1/2) Acta Crystallographica Section C 52(1) (1996) 72-74

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004383.cif $ #-------------------------------------------------------------------...

2,004,384

8.016

0.001

11.552

0.001

14.409

0.002

90

null

90

null

90

null

1,334.3

0.3

293

2

null

4

P 21 21 21

P 2ac 2ab

19

- C12 H20 N2 O3 -

- C48 H80 N8 O12 -

4

1

HA1110

Charalambous, J.; Thomas, T. A.; Carugo, O.; Castellani, C. B.

5-Hexylamino-1,2-benzoquinone 2-Oxime Monohydrate

Acta Crystallographica Section C

1,996

52

1

150

152

10.1107/S0108270195003696

1.54184

CuKα

null

0.046

null

0.023

null

1.12

null

has coordinates

Charalambous, J.; Thomas, T. A.; Carugo, O.; Castellani, C. B. 5-Hexylamino-1,2-benzoquinone 2-Oxime Monohydrate Acta Crystallographica Section C 52(1) (1996) 150-152

301,791

2025-08-18

23:15:25

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/43/2004384.cif $ #-------------------------------------------------------------------...